[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone

C10H17F2N3O2 — CID 121265351

IUPAC[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone
SMILESCO[C@H]1CCN(C(=O)C2CNCN2)CC1(F)F
InChIInChI=1S/C10H17F2N3O2/c1-17-8-2-3-15(5-10(8,11)12)9(16)7-4-13-6-14-7/h7-8,13-14H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyZCJAFEIAKRXLGZ-MQWKRIRWSA-N
MW249.26 g/mol
LogP-0.61
Rot. Bonds2

About [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone

[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone (PubChem CID 121265351) has the molecular formula C10H17F2N3O2 and a molecular weight of 249.26 g/mol. Its IUPAC name is [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone.

Molecular Properties

Compound Name[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone
PubChem CID121265351
Molecular FormulaC10H17F2N3O2
Molecular Weight249.26 g/mol
Exact Mass249.13
IUPAC Name[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone
SMILESCO[C@H]1CCN(C(=O)C2CNCN2)CC1(F)F
InChIInChI=1S/C10H17F2N3O2/c1-17-8-2-3-15(5-10(8,11)12)9(16)7-4-13-6-14-7/h7-8,13-14H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyZCJAFEIAKRXLGZ-MQWKRIRWSA-N
XLogP-0.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone?
The IUPAC name of [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone (CID 121265351) is [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone.
What is the SMILES notation for [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone?
The canonical SMILES for [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone is CO[C@H]1CCN(C(=O)C2CNCN2)CC1(F)F.
What is the InChIKey of [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone?
The InChIKey is ZCJAFEIAKRXLGZ-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H17F2N3O2/c1-17-8-2-3-15(5-10(8,11)12)9(16)7-4-13-6-14-7/h7-8,13-14H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone?
[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone has a molecular weight of 249.26 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone is sourced from PubChem (CID 121265351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).